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Fe2SiO4 |
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Yagi T, Marumo F, Akimoto S I |
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American Mineralogist 59 (1974) 486-490 |
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Crystal structures of spinel polymorphs of Fe2SiO4 and Ni2SiO4 |
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8.234 8.234 8.234 90 90 90 Fd3m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe .625 .625 .625 .989 .0015 .0015 .0015 -.0001 -.0001 -.0001 |
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Si .625 .625 .625 .011 .0015 .0015 .0015 -.0001 -.0001 -.0001 |
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Fe 0 0 0 .023 .0010 .0010 .0010 0 0 0 |
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Si 0 0 0 .977 .0010 .0010 .0010 0 0 0 |
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O .3658 .3658 .3658 .0015 .0015 .0015 -.0001 -.0001 -.0001 |
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Ni2SiO4 |
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Yagi T, Marumo F, Akimoto S I |
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American Mineralogist 59 (1974) 486-490 |
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Crystal structures of spinel polymorphs of Fe2SiO4 and Ni2SiO4 |
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8.044 8.044 8.044 90 90 90 Fd3m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ni .625 .625 .625 .990 .0013 .0013 .0013 -.0003 -.0003 -.0003 |
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Si .625 .625 .625 .010 .0013 .0013 .0013 -.0003 -.0003 -.0003 |
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Si 0 0 0 .995 .0011 .0011 .0011 0 0 0 |
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Ni 0 0 0 .005 .0011 .0011 .0011 0 0 0 |
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O .3687 .3687 .3687 .0014 .0014 .0014 .0005 .0005 .0005 |
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Phase-A |
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Horiuchi H, Morimoto N, Yamamoto K, Akimoto S I |
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American Mineralogist 64 (1979) 593-598 |
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Crystal structure of 2Mg2SiO4.3Mg(OH)2, a new high-pressure structure type |
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7.8603 7.8603 9.5730 90 90 120 P6_3 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 .3722 .4547 .3857 0.00289 0.00292 0.00145 0.00125 -.00047 0.00005 |
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Mg2 .2252 .2438 .1127 0.00291 0.00242 0.00126 0.00127 -.00039 -.00033 |
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Mg3 1/3 2/3 .1029 0.00283 0.00283 0.00133 0.00142 0 0 |
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Si1 2/3 1/3 .1741 0.00196 0.00196 0.00073 0.00098 0 0 |
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Si2 0 0 .4018 0.00204 0.00204 0.00070 0.00102 0 0 |
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O1 .2001 .0274 -.024 0.00251 0.00240 0.00118 0.00118 -.00006 -.00010 |
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O2 .4766 .0988 .4844 0.00320 0.00268 0.00136 0.00149 0.00004 -.00012 |
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O3 .4538 .2947 .2320 0.00219 0.00401 0.00136 0.00164 -.00016 -.00007 |
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O4 .1704 .4367 .2398 0.00293 0.00280 0.00176 0.00145 0.00021 0.00023 |
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O5 2/3 1/3 0 0.00279 0.00279 0.00120 0.00139 0 0 |
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O6 0 0 .2323 0.00366 0.00366 0.00055 0.00183 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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